Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LLE51P
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| Ligand Name |
5'-S-[1-(2-{[(2-Amino-4-Oxo-3,4-Dihydropteridin-6-Yl)methyl]amino}ethyl)piperidin-4-Yl]-5'-Thioadenosine
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| Synonyms |
CHEMBL1928284; 5'-S-[1-(2-{[(2-Amino-4-Oxo-3,4-Dihydropteridin-6-Yl)methyl]amino}ethyl)piperidin-4-Yl]-5'-Thioadenosine; BDBM50484526; Q27461621; J1A
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| Structure |
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Download2D MOL |
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| Formula |
C24H32N12O4S
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| Canonical SMILES |
C1CN(CCC1SCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O)CCNCC5=CN=C6C(=N5)C(=O)NC(=N6)N
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| InChI |
1S/C24H32N12O4S/c25-19-15-21(30-10-29-19)36(11-31-15)23-18(38)17(37)14(40-23)9-41-13-1-4-35(5-2-13)6-3-27-7-12-8-28-20-16(32-12)22(39)34-24(26)33-20/h8,10-11,13-14,17-18,23,27,37-38H,1-7,9H2,(H2,25,29,30)(H3,26,28,33,34,39)/t14-,17-,18-,23-/m1/s1
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| InChIKey |
KWIHONXLDHOYOZ-YMYXXHFHSA-N
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| PubChem Compound ID | ||||
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